N-[(4aS)-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-2-amine

C44H35N3 — CID 167246980

IUPACN-[(4aS)-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-2-amine
SMILESCC1(C)C2=CC(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccccn3)=CC[C@@H]2c2ccccc21
InChIInChI=1S/C44H35N3/c1-44(2)39-16-8-6-14-35(39)36-25-24-34(29-40(36)44)46(43-18-10-11-27-45-43)33-22-19-30(20-23-33)31-21-26-42-38(28-31)37-15-7-9-17-41(37)47(42)32-12-4-3-5-13-32/h3-24,26-29,36H,25H2,1-2H3/t36-/m1/s1
InChIKeyOKRPJEYUOMCGIM-PSXMRANNSA-N
MW605.79 g/mol
LogP11.27
Rot. Bonds5

About N-[(4aS)-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-2-amine

N-[(4aS)-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-2-amine (PubChem CID 167246980) has the molecular formula C44H35N3 and a molecular weight of 605.79 g/mol. Its IUPAC name is N-[(4aS)-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(4aS)-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-2-amine
PubChem CID167246980
Molecular FormulaC44H35N3
Molecular Weight605.79 g/mol
Exact Mass605.28
IUPAC NameN-[(4aS)-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-2-amine
SMILESCC1(C)C2=CC(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccccn3)=CC[C@@H]2c2ccccc21
InChIInChI=1S/C44H35N3/c1-44(2)39-16-8-6-14-35(39)36-25-24-34(29-40(36)44)46(43-18-10-11-27-45-43)33-22-19-30(20-23-33)31-21-26-42-38(28-31)37-15-7-9-17-41(37)47(42)32-12-4-3-5-13-32/h3-24,26-29,36H,25H2,1-2H3/t36-/m1/s1
InChIKeyOKRPJEYUOMCGIM-PSXMRANNSA-N
XLogP11.27
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.79
LogP ≤ 511.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)-1,2-dihydrocarbazol-3-yl]phenyl]-4,4a-dihydrofluoren-2-amine
CID 144896705
N-[7-[6-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)naphthalen-1-yl]-9-phenylcarbazol-2-yl]-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 163747125
9,9-diphenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-4,4a-dihydrofluoren-2-amine
CID 170304185
N-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 167143221
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-2-ylphenyl)fluoren-2-amine
CID 71248523
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
4-(4-carbazol-9-ylphenyl)-N,N-diphenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,4-diphenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-N-(3-pyridin-3-ylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine;methane
CID 160706039
N-[4-(9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaen-21-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine;21-(9,9-dimethylfluoren-2-yl)-9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-(9-phenylcarbazol-3-yl)-9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
CID 158069136
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)spiro[4b,5-dihydrofluorene-9,1'-cyclobutane]-3-amine
CID 144519701
4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 66585298
6,6,12,12-tetramethyl-9-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
CID 169284384
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]quinolin-6-amine
CID 129201041

Frequently Asked Questions

What is the IUPAC name of N-[(4aS)-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-2-amine?
The IUPAC name of N-[(4aS)-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-2-amine (CID 167246980) is N-[(4aS)-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-2-amine.
What is the SMILES notation for N-[(4aS)-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-2-amine?
The canonical SMILES for N-[(4aS)-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-2-amine is CC1(C)C2=CC(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccccn3)=CC[C@@H]2c2ccccc21.
What is the InChIKey of N-[(4aS)-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-2-amine?
The InChIKey is OKRPJEYUOMCGIM-PSXMRANNSA-N. The full InChI is InChI=1S/C44H35N3/c1-44(2)39-16-8-6-14-35(39)36-25-24-34(29-40(36)44)46(43-18-10-11-27-45-43)33-22-19-30(20-23-33)31-21-26-42-38(28-31)37-15-7-9-17-41(37)47(42)32-12-4-3-5-13-32/h3-24,26-29,36H,25H2,1-2H3/t36-/m1/s1.
What are the key properties of N-[(4aS)-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-2-amine?
N-[(4aS)-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-2-amine has a molecular weight of 605.79 g/mol, XLogP of 11.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4aS)-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-2-amine is sourced from PubChem (CID 167246980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).